⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8998093 | 1.00 | — | — | |
| SCHEMBL167723 | 0.78 | — | — | |
| SCHEMBL7613709 | 0.77 | — | — | |
| SCHEMBL8998043 | 0.72 | — | — | |
| SCHEMBL131574 | 0.69 | — | — | |
| SCHEMBL5442873 | 0.69 | — | — | |
| Dimethyl Fumarate SCHEMBL29062056 | 0.67 | NFE2L2 (0.87) | — | |
| SCHEMBL8998089 | 0.67 | HCAR2 (0.42) | — | |
| SCHEMBL8998091 | 0.67 | HCAR2 (0.42) | — | |
| Dimethyl Fumarate SCHEMBL41836 | 0.65 | NFE2L2 (1.00) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496347-B1 | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEM RES (JP) | 1996-09-04 | — | — | EP | disclosed |
| US-5391807-A | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1995-02-21 | — | — | US | disclosed |
| US-5344953-A | Fluorobenzene derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-09-06 | — | — | US | disclosed |
| US-5281742-A | Bis(fluorophenyl) carbonate derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1994-01-25 | — | — | US | disclosed |
| EP-0496347-A2 | Methods of preparing fluorobenzene derivatives and related compounds | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1992-07-29 | — | — | EP | disclosed |